5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide

C13H12N4O2 — CID 63117740

IUPAC5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3cc(N)ccc3[nH]2)on1
InChIInChI=1S/C13H12N4O2/c1-7-4-12(19-17-7)16-13(18)11-6-8-5-9(14)2-3-10(8)15-11/h2-6,15H,14H2,1H3,(H,16,18)
InChIKeyWSACMLOCNHJBRI-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.30
Rot. Bonds2

About 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide

5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide (PubChem CID 63117740) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
PubChem CID63117740
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3cc(N)ccc3[nH]2)on1
InChIInChI=1S/C13H12N4O2/c1-7-4-12(19-17-7)16-13(18)11-6-8-5-9(14)2-3-10(8)15-11/h2-6,15H,14H2,1H3,(H,16,18)
InChIKeyWSACMLOCNHJBRI-UHFFFAOYSA-N
XLogP2.30
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
CID 65486031
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indazole-3-carboxamide
CID 54944436
5-amino-N-(2-methyl-3-pyridinyl)-1H-indole-2-carboxamide
CID 79041889
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 115597844
2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 61089900
5-amino-N-(2,6-difluorophenyl)-1H-indole-2-carboxamide
CID 63117859
5-amino-N-(3-bromo-5-methylphenyl)-1H-indole-2-carboxamide
CID 107581689
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
5-amino-N-(5-bromo-4-methyl-2-pyridinyl)-1H-indole-2-carboxamide
CID 79735742
5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
CID 62057441
5-amino-N-(2-methylsulfinylethyl)-1H-indole-2-carboxamide
CID 113479607

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide (CID 63117740) is 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide is Cc1cc(NC(=O)c2cc3cc(N)ccc3[nH]2)on1.
What is the InChIKey of 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide?
The InChIKey is WSACMLOCNHJBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-7-4-12(19-17-7)16-13(18)11-6-8-5-9(14)2-3-10(8)15-11/h2-6,15H,14H2,1H3,(H,16,18).
What are the key properties of 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide?
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63117740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).